6-[1-(6-azanylhexanoylamino)propyl]-6-oxidanyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-[1-(6-azanylhexanoylamino)propyl]-6-oxidanyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-[1-(6-aminohexanoylamino)propyl]-6-hydroxy-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-[1-[(6-amino-1-oxohexyl)amino]propyl]-6-hydroxy-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-[1-(6-aminohexanoylamino)propyl]-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-[1-(6-aminohexanoylamino)propyl]-6-hydroxy-cyclohexa-2,4-diene-1-carboxylic acid Formula: C16H26N2O4 MolecularWeight: 310.38864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1(C=CC=CC1C(=O)O)O)NC(=O)CCCCCN

Isomeric SMILES

CCC(C1(C=CC=CC1C(=O)O)O)NC(=O)CCCCCN

InChI

InChI=1S/C16H26N2O4/c1-2-13(18-14(19)9-4-3-7-11-17)16(22)10-6-5-8-12(16)15(20)21/h5-6,8,10,12-13,22H,2-4,7,9,11,17H2,1H3,(H,18,19)(H,20,21)